Overview of the SAMPL5 host-guest challenge: Are we doing better?
Journal Article
Overview
publication date
- January 1, 2017
has subject area
- Binding Sites
- Biochemical Phenomena - Molecular Dynamics Simulation
- Biochemical Phenomena - Molecular Structure
- Biochemical Phenomena - Protein Binding
- Biochemical Phenomena - Structure-Activity Relationship
- Biological Science Disciplines - Drug Design
- Chemical Phenomena - Molecular Structure
- Chemistry - Drug Design
- Computer Simulation - Molecular Dynamics Simulation
- Investigative Techniques - Drug Design
- Ligands
- Metabolism - Protein Binding
- Models, Molecular - Molecular Dynamics Simulation
- Pharmacological Phenomena - Structure-Activity Relationship
- Proteins
- Solvents
- Thermodynamics
has restriction
- green
Date in CU Experts
- September 27, 2016 11:39 AM
Full Author List
- Yin J; Henriksen NM; Slochower DR; Shirts MR; Chiu MW; Mobley DL; Gilson MK
author count
- 7
citation count
- 121
published in
Other Profiles
International Standard Serial Number (ISSN)
- 0920-654X
Electronic International Standard Serial Number (EISSN)
- 1573-4951
Digital Object Identifier (DOI)
Additional Document Info
start page
- 1
end page
- 19
volume
- 31
issue
- 1